[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C18H25N3O3S — CID 110814495

IUPAC[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1C
InChIInChI=1S/C18H25N3O3S/c1-3-24-16-5-4-14(10-13(16)2)17(22)20-6-8-21(9-7-20)18(23)15-11-25-12-19-15/h4-5,10,15,19H,3,6-9,11-12H2,1-2H3
InChIKeyRZBVIUPANSSZQO-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.34
Rot. Bonds4

About [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110814495) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110814495
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1C
InChIInChI=1S/C18H25N3O3S/c1-3-24-16-5-4-14(10-13(16)2)17(22)20-6-8-21(9-7-20)18(23)15-11-25-12-19-15/h4-5,10,15,19H,3,6-9,11-12H2,1-2H3
InChIKeyRZBVIUPANSSZQO-UHFFFAOYSA-N
XLogP1.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxy-3-methylphenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 110804678
2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814535
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110802331
1-[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803973
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
1-[4-(4-ethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110806705
1-[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110815280
1-[4-(4-ethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110816716
[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110808440
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815159
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
CID 110803776

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110814495) is [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CCOc1ccc(C(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1C.
What is the InChIKey of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is RZBVIUPANSSZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-24-16-5-4-14(10-13(16)2)17(22)20-6-8-21(9-7-20)18(23)15-11-25-12-19-15/h4-5,10,15,19H,3,6-9,11-12H2,1-2H3.
What are the key properties of [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 363.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110814495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).